Hi, For generating multiple point files (data and the .general files), you can simply modify the Map.__init__() method in pipe_control.opendx. That should be trivial. Getting the user function interface correct is the hard part.
Regards, Edward On 8 May 2014 13:57, Troels Emtekær Linnet <[email protected]> wrote: > Hi Edward. > > I can make more points by: > > cat CR72_point_1_N | awk '{print $1-0.5, $2+1, $3, 1}' >> CR72_point_1_N > sed -i "s/points = 1/points = 2/g" CR72_point_1_N.general > > That will be my start > > Best > Troels > > > 2014-05-08 13:30 GMT+02:00 Edward d'Auvergne <[email protected]>: >> Hi Troels, >> >> Before making any changes to the OpenDX program, if you do plan to do >> this, please discuss it on the mailing list first. I have a lot of >> experience with OpenDX and how to handle multiple points, and I also >> know how to modify the lib.software.opendx package code in the best >> and simplest way for this support. It would come down to two steps. >> The first would be to shift the 'Glyph' page group into its own >> function. Then to loop over each point, calling that function to add >> one tab to the program per point. This way you don't have to deal >> with dynamic element layout and dynamic connections. The second step, >> collecting them together, will be more difficult. But, anyway, please >> discuss any changes before making them. >> >> Cheers, >> >> Edward >> >> >> >> On 8 May 2014 12:04, Edward d'Auvergne <[email protected]> wrote: >>> Hmmm, good question. Should this be hardcoded, or would you like to >>> have this as a user function argument? The GUI will be more >>> difficult. We could have the fixed set of colours listed by OpenDX >>> (see the 'color' input of the 'Color' element in the 'Glyph' tab of >>> the relax maps). Or we could use an RGB list. If you have both one >>> point or a list of points, then the GUI construction will be more >>> challenging. Maybe just defaulting to the OpenDX colours in the order >>> in OpenDX is best - the user can change these colours later in the >>> OpenDX program by editing the 'Color' elements. >>> >>> Note that the hardest part will be to create an OpenDX program in text >>> form which has variable number of glyphs. You should first create an >>> OpenDX program with 2 points by modifying one from dx.map, and seeing >>> what is involved. >>> >>> Regards, >>> >>> Edward >>> >>> >>> >>> On 8 May 2014 11:54, Troels Emtekær Linnet <[email protected]> wrote: >>>> Do you know, if the colors can be specified? >>>> >>>> >>>> >>>> 2014-05-08 11:53 GMT+02:00 Edward d'Auvergne <[email protected]>: >>>>> This is reasonable. You should create a system test before >>>>> implementing anything though. And the original [x, y, x] point should >>>>> be accepted as well as lists of points. >>>>> >>>>> Regards, >>>>> >>>>> Edward >>>>> >>>>> >>>>> >>>>> On 8 May 2014 11:50, Troels E. Linnet <[email protected]> >>>>> wrote: >>>>>> URL: >>>>>> <http://gna.org/task/?7791> >>>>>> >>>>>> Summary: the dx.map should accept a list of list with >>>>>> values >>>>>> for points. >>>>>> Project: relax >>>>>> Submitted by: tlinnet >>>>>> Submitted on: Thu 08 May 2014 09:50:07 AM UTC >>>>>> Should Start On: Thu 08 May 2014 12:00:00 AM UTC >>>>>> Should be Finished on: Fri 09 May 2014 12:00:00 AM UTC >>>>>> Category: relax's source code >>>>>> Priority: 7 - High >>>>>> Status: In Progress >>>>>> Percent Complete: 0% >>>>>> Assigned to: tlinnet >>>>>> Open/Closed: Open >>>>>> Discussion Lock: Any >>>>>> Effort: 0.00 >>>>>> >>>>>> _______________________________________________________ >>>>>> >>>>>> Details: >>>>>> >>>>>> The dx.map can accept a point [x, y, x] >>>>>> to map on the chi2 surface. >>>>>> >>>>>> dx.map(params=dx_params, map_type='Iso3D', spin_id=cur_spin_id, >>>>>> inc=ds.dx_inc, >>>>>> lower=None, upper=None, axis_incs=10, file_prefix=file_name_map, >>>>>> dir=ds.resdir, point=dx_set_val, point_file=file_name_point, remap=None) >>>>>> >>>>>> This should be expanded to: >>>>>> [[x1, y1, z1], [x2, y2, z2]] >>>>>> >>>>>> This is to allow, that one can have dynamic parameters points, that >>>>>> showed how >>>>>> data is generated, and a point which shows which point space was >>>>>> minimised to. >>>>>> >>>>>> >>>>>> >>>>>> >>>>>> _______________________________________________________ >>>>>> >>>>>> Reply to this item at: >>>>>> >>>>>> <http://gna.org/task/?7791> >>>>>> >>>>>> _______________________________________________ >>>>>> Message sent via/by Gna! >>>>>> http://gna.org/ >>>>>> >>>>>> >>>>>> _______________________________________________ >>>>>> relax (http://www.nmr-relax.com) >>>>>> >>>>>> This is the relax-devel mailing list >>>>>> [email protected] >>>>>> >>>>>> To unsubscribe from this list, get a password >>>>>> reminder, or change your subscription options, >>>>>> visit the list information page at >>>>>> https://mail.gna.org/listinfo/relax-devel _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-devel
